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15145-06-9 | 1,3-Cyclohexadiene-1-carbonitrile
CAS No: 15145-06-9 Catalog No: AG001ND7 MDL No:
Product Description
Catalog Number:
AG001ND7
Chemical Name:
1,3-Cyclohexadiene-1-carbonitrile
CAS Number:
15145-06-9
Molecular Formula:
C7H7N
Molecular Weight:
105.1372
IUPAC Name:
cyclohexa-1,3-diene-1-carbonitrile
InChI:
InChI=1S/C7H7N/c8-6-7-4-2-1-3-5-7/h1-2,4H,3,5H2
InChI Key:
IYNBCAUGMZQCQI-UHFFFAOYSA-N
SMILES:
C1CC=CC=C1C#N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.058g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
105.14g/mol
Monoisotopic Mass:
105.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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